Hi Nick,
As an alternative, if you cd $AMBERHOME and type source amber.sh . What
happens when you try to run MMPBSA.py?
Best,
Dwight
On Tue, Nov 24, 2015 at 7:59 PM, Hai Nguyen <nhai.qn.gmail.com> wrote:
> Please ignore my comment. I did not see 'new prompt' in your reply.
>
> On Tuesday, November 24, 2015, Nhai <nhai.qn.gmail.com> wrote:
>
> > Hi
> >
> > Make sure to 'source .bashrc' after updating.
> >
> > Hai
> >
> > > On Nov 24, 2015, at 7:41 PM, Cockroft, Nicholas T. <
> > cockroft.1.buckeyemail.osu.edu <javascript:;>> wrote:
> > >
> > > Hi Dwight,
> > >
> > > I previously had in my .bashrc file:
> > >
> > > test -f /usr/local/amber14/amber.sh && source
> /usr/local/amber14/amber.sh
> > >
> > > So I tried I commenting it out, adding the line as you had written,
> > running MMPBSA.py in new prompt with the .bashrc file changes, and I
> still
> > received the same Import Error message.
> > >
> > > Best,
> > > Nick
> > >
> > > ________________________________________
> > > From: Dwight McGee <dwight.mcgee.gmail.com <javascript:;>>
> > > Sent: Tuesday, November 24, 2015 7:30 PM
> > > To: AMBER Mailing List
> > > Subject: Re: [AMBER] Import error when running MMPBSA.py
> > >
> > > Hi Nick,
> > >
> > > Be sure you have *source $AMBERHOME/amber.sh *in your .bashrc and that
> > > should resolve the problem.
> > >
> > > Cheers,
> > > Dwight
> > >
> > > On Tue, Nov 24, 2015 at 5:00 PM, Cockroft, Nicholas T. <
> > > cockroft.1.buckeyemail.osu.edu <javascript:;>> wrote:
> > >
> > >> Hi,
> > >>
> > >>
> > >> After running an MD simulation I wanted to perform an energy
> calculation
> > >> using MMPBSA.py. However, when I attempt to run MMPBSA.py I get the
> > >> following import error:
> > >>
> > >>
> > >> Traceback (most recent call last):
> > >> File "/usr/local/amber14/bin/MMPBSA.py", line 38, in <module>
> > >> from MMPBSA_mods.exceptions import MMPBSA_Error, InputError,
> > >> CommandlineError
> > >> ImportError: No module named MMPBSA_mods.exceptions
> > >>
> > >>
> > >> I am using Amber14 and AmberTools15. Any help to resolve this error is
> > >> greatly appreciated.
> > >>
> > >>
> > >> Best,
> > >>
> > >> Nick
> > >> _______________________________________________
> > >> AMBER mailing list
> > >> AMBER.ambermd.org <javascript:;>
> > >> http://lists.ambermd.org/mailman/listinfo/amber
> > >
> > >
> > >
> > > --
> > > T. Dwight McGee Jr.
> > >
> > > dwight.mcgee.gmail.com <javascript:;>
> > >
> > > "Problems cannot be solved at the same level of awareness that created
> > > them."
> > > Albert Einstein
> > > _______________________________________________
> > > AMBER mailing list
> > > AMBER.ambermd.org <javascript:;>
> > > http://lists.ambermd.org/mailman/listinfo/amber
> > > _______________________________________________
> > > AMBER mailing list
> > > AMBER.ambermd.org <javascript:;>
> > > http://lists.ambermd.org/mailman/listinfo/amber
> >
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
T. Dwight McGee Jr.
dwight.mcgee.gmail.com
"Problems cannot be solved at the same level of awareness that created
them."
Albert Einstein
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Nov 24 2015 - 17:30:03 PST
